Purpose: Electronic Structure Calculations
Latest version: 220117
Licence: 
Must be provided by the user.
Proprietary
Website: http://aimsclub.fhi-berlin.mpg.de/
The Fritz Haber Institute ab-initio molecular simulations (FHI-aims) is a computer program package for computational materials science based on quantum-mechanical first principles. By using DFT or HF, it allows the resolution of molecular problems or periodical systems, the optimization of structures and the resolution of transport problems.